vincamine   Click here for help

GtoPdb Ligand ID: 349

Synonyms: vincamidol
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 54.7
Molecular weight 354.19
XLogP 3.69
No. Lipinski's rules broken 0
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Canonical SMILES COC(=O)C1(O)CC2(CC)CCCN3C2c2n1c1ccccc1c2CC3
Isomeric SMILES COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3
InChI InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
M3 receptor Hs Allosteric modulator Neutral 5.7 pKd - 1
pKd 5.7 [1]
M2 receptor Hs Allosteric modulator Neutral 5.1 pKd - 1
pKd 5.1 [1]
M1 receptor Hs Allosteric modulator Neutral 4.8 pKd - 1
pKd 4.8 [1]
M4 receptor Hs Allosteric modulator Positive 4.2 pKd - 1
pKd 4.2 [1]